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dc.contributor.advisorGümüş, Selçuk
dc.contributor.authorUygur, Ridvan
dc.date.accessioned2020-12-10T11:16:52Z
dc.date.available2020-12-10T11:16:52Z
dc.date.submitted2017
dc.date.issued2018-08-06
dc.identifier.urihttps://acikbilim.yok.gov.tr/handle/20.500.12812/258168
dc.description.abstractBu tez çalışmasında azotça zengin ve çevre dostu (yeşil) piroteknikler olan DAAT (3,3-Azobis (6-amino-1,2,4,5-tetrazin), DHT (3,6-di(hydrazino)-1,2,4,5-tetrazin), DIAT (3,6-diazido-1,2,4,5-tetrazin) ve CuAT (Bakır(II) azotetrazolat) tuzlarının dekompozisyon mekanizmalarının MP2/6-31G(d,p) seviyesinde teorik olarak incelenmiştir. Tüm bozulmalar için tepkime koordinatı ve enerji profil diagramları oluşturulmuştur. Tüm dekompozisyon ürünlerin azot gazı ve küçük karbon bileşikleri olduğu tespit edilmiştir. Tepkenler, ara ürünler ve ürünlerin potansiyel enerji yüzeyinde minimum noktalarda öte yandan geçiş hallerinin ise tepe noktalarında olduğu belirlenmiştir.
dc.description.abstractThe decomposition mechanism of nitrogen rich, environmentally friendly (green) pyrotechnics DHT (3,6-di(hydrazino)-1,2,4,5-tetrazine), DIAT (3,6-diazido-1,2,4,5-tetrazine), DAAT (3,3-azobis (6-amino-1,2,4,5-tetrazine) and CuAT (Copper(II) azotetrazolate) salt were investigated theoretically at the level of MP2/6-31G(d,p) level. The reaction coordinates for the decomposition were drawn and energy profile was built for all four. The decomposition products of these pyrotechnics are mainly nitrogen gas together with small carbon containing fragments. The reactants, intermediates, products were computed to be minima at the potential energy surface, on the other hand, the transition states were located on saddle points onthe corresponding reactions.en_US
dc.languageTurkish
dc.language.isotr
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.rightsAttribution 4.0 United Statestr_TR
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectKimyatr_TR
dc.subjectChemistryen_US
dc.titleÇevre dostu enerjetik metaryallerin dekomposizyon mekanizmalarının teorik olarak incelenmesi
dc.title.alternativeTheoretical investigation of decomposition mechanism of enviromentally friendly energetic materials
dc.typemasterThesis
dc.date.updated2018-08-06
dc.contributor.departmentKimya Anabilim Dalı
dc.identifier.yokid10174027
dc.publisher.instituteFen Bilimleri Enstitüsü
dc.publisher.universityVAN YÜZÜNCÜ YIL ÜNİVERSİTESİ
dc.identifier.thesisid503176
dc.description.pages88
dc.publisher.disciplineOrganik Kimya Bilim Dalı


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